(1-methylpyrazol-4-yl)-(oxan-4-yl)methanone

C10H14N2O2 — CID 65195740

IUPAC(1-methylpyrazol-4-yl)-(oxan-4-yl)methanone
SMILESCn1cc(C(=O)C2CCOCC2)cn1
InChIInChI=1S/C10H14N2O2/c1-12-7-9(6-11-12)10(13)8-2-4-14-5-3-8/h6-8H,2-5H2,1H3
InChIKeyJISZEOKAQLNUGL-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.03
Rot. Bonds2

About (1-methylpyrazol-4-yl)-(oxan-4-yl)methanone

(1-methylpyrazol-4-yl)-(oxan-4-yl)methanone (PubChem CID 65195740) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(oxan-4-yl)methanone
PubChem CID65195740
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(1-methylpyrazol-4-yl)-(oxan-4-yl)methanone
SMILESCn1cc(C(=O)C2CCOCC2)cn1
InChIInChI=1S/C10H14N2O2/c1-12-7-9(6-11-12)10(13)8-2-4-14-5-3-8/h6-8H,2-5H2,1H3
InChIKeyJISZEOKAQLNUGL-UHFFFAOYSA-N
XLogP1.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(oxan-4-yl)methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-(oxan-4-yl)methanone (CID 65195740) is (1-methylpyrazol-4-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-(oxan-4-yl)methanone is Cn1cc(C(=O)C2CCOCC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(oxan-4-yl)methanone?
The InChIKey is JISZEOKAQLNUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-7-9(6-11-12)10(13)8-2-4-14-5-3-8/h6-8H,2-5H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-(oxan-4-yl)methanone?
(1-methylpyrazol-4-yl)-(oxan-4-yl)methanone has a molecular weight of 194.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 65195740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).